Preferred name | ethyl hexanoate |
Trivial Name | Ethyl hexanoate |
Short Description | ethyl caproate |
Formula | C8 H16 O2 |
CAS Number | 123-66-0 |
Deleted CAS Number | 8068-81-3 |
FEMA Number | 2439 |
Flavis Number | 9.06 |
ECHA Number | 204-640-3 |
FDA UNII | FLO6YR1SHT |
Nikkaji Number | J2.500C |
Beilstein Number | 1701293 |
MDL | MFCD00009511 |
COE Number | 310 |
xLogP3-AA | 2.40 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 31 ethyl hexanoate |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 123-66-0 ; ETHYL HEXANOATE |
Synonyms |
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Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
ethyl hexanoate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 123-66-0 |
Pubchem (cid): | 31265 |
Pubchem (sid): | 134974573 |
Flavornet: | 123-66-0 |
Pherobase: | View |
(IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
Videos: | The Periodic Table of Videos |
tgsc: | Atomic Weights use for this web site |
(IUPAC): | Periodic Table of the Elements |
FDA Substances Added to Food (formerly EAFUS): | View |
CHEBI: | View |
HMDB (The Human Metabolome Database): | HMDB40209 |
FooDB: | FDB019921 |
YMDB (Yeast Metabolome Database): | YMDB01381 |
Export Tariff Code: | 2915.90.5050 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Material listed in food chemical codex | Yes |
Molecular weight | 144.21391296387 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.156 to 7.198 |
Refractive Index | 1.53 to 1.534 @ 20 °C |
Melting Point | -68 to -67°C @ 760 mm Hg |
Boiling Point | 166 to 168°C @ 760 mm Hg |
Acid Value | 1 max KOH/g |
Vapor Pressure | 1.665 mmHg @ 25 °C |
Vapor Density | 4.9 |
Flash Point TCC Value | 49.44 °C TCC |
logP (o/w) | 2.823 est |
Solubility | |
alcohol | Yes |
fixed oils | Yes |
water, 308.7 mg/L @ 25 °C (est) | Yes |
propylene glycol | Yes |
water, 629 mg/L @ 25 °C (exp) | Yes |
glycerin | No |
Odor Type: Fruity | |
sweet, fruity, pineapple, waxy, green, banana, fatty, estery | |
Odor strength | high , recommend smelling in a 1.00 % solution or less |
Substantivity | 4 hour(s) at 100.00 % |
Luebke, William tgsc, (1990) | At 1.00 % in dipropylene glycol. sweet fruity pineapple waxy green banana |
Mosciano, Gerard P&F 22, No. 6, 41, (1997) | At 2.00 %. Sweet, fruity, pineapple, waxy, fatty and estry with a green banana nuance |
Flavor Type: Fruity | |
sweet, pineapple, fruity, waxy, banana, green, estery | |
Mosciano, Gerard P&F 22, No. 6, 41, (1997) | At 7.00 ppm. Sweet, pineapple, fruity, waxy and banana with a green, estry nuance |
Useful in: brown others, dairy, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Fruity, strawberry, sweet, rum, pineapple |
General comment | Fruity, tropical fruits, rum note, waxy |
(data available) |
Applications | |
Odor purposes | Apple , Apple green apple , Banana , Butter , Cognac , Fruit , Grape , Herbal , Kiwi , Moss , Papaya , Pear , Pineapple , Rose , Saffron , Strawberry , Valerian , Wine |
Flavoring purposes | Beer , Valerian |
Other purposes | Diffusion |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
None found. | |
GHS Label elements, including precautionary statements | |
Pictogram | |
Hazard statement(s) | |
None found. | |
Precautionary statement(s) | |
None found. | |
Human Experience: | |
4 % solution: no irritation or sensitization. | |
Oral/Parenteral Toxicity: | |
Not determined | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
Not determined |
Category: | |||
flavor and fragrance agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Recommendation for ethyl hexanoate usage levels up to: | |||
4.0000 % in the fragrance concentrate. | |||
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
publication number: 3 | |||
Click here to view publication 3 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 12.00000 | |
beverages(nonalcoholic): | - | 7.00000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | 32.00000 | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 18.00000 | |
fruit ices: | - | 18.00000 | |
gelatins / puddings: | - | 10.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 12.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | 1.30000 | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | - | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
European Food Safety Authority (EFSA) reference(s): |
Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
EPI System: View |
Chemical Carcinogenesis Research Information System:Search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):123-66-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :31265 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 3272 |
WGK Germany:1 |
ethyl hexanoate |
Chemidplus:0000123660 |
RTECS:MO7735000 for cas# 123-66-0 |